Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol
The experimentally established mechanism targets of Fumaric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR4 known ✓ | Q13639 | 4/20 | 0.50 |
| ▸ | KCNH2 known ✓ | Q12809 | 2/20 | 0.44 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.47 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.47 |
| ▸ | HTR3A | P46098 | 5/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL7299904 | 0.82 | HTR4 (0.50) | HTR4CYP2C9PMP22NPSR1CYP1A2 | |
| Fumaric Acid SCHEMBL2942179 | 0.79 | HTR4 (0.51) | HTR4CYP2C9PMP22NPSR1CYP1A2 | |
| SCHEMBL4294891 | 0.74 | HTR4 (0.55) | HTR4CYP2C9PMP22NPSR1CYP1A2 | |
| Maleic Acid SCHEMBL2942174 | 0.74 | HTR4 (0.90) | HTR4CYP2C9PMP22NPSR1CYP1A2 | |
| SCHEMBL7294480 | 0.72 | CYP2C9 (0.55) | HTR4CYP2C9PMP22NPSR1CYP1A2 | |
| SCHEMBL7301885 | 0.72 | HTR4 (0.67) | HTR4CYP2C9PMP22NPSR1CYP1A2 | |
| SCHEMBL2940563 | 0.71 | HTR4 (0.43) | HTR4CYP2C9PMP22NPSR1CYP1A2 | |
| SCHEMBL2941277 | 0.70 | HTR4 (0.50) | HTR4CYP2C9PMP22NPSR1CYP1A2 | |
| Maleic Acid SCHEMBL7401568 | 0.70 | CARM1 (0.41) | HTR4CYP2C9PMP22NPSR1CYP1A2 | |
| SCHEMBL9703208 | 0.69 | HTR4 (0.61) | HTR4CYP2C9PMP22NPSR1CYP1A2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0501322-B1 | 3-Piperidinylmethylcarboxylate substituted indoles | GLAXO GROUP LTD (GB) | 1996-09-04 | — | — | EP | disclosed |
| WO-1992014727-A1 | 3-PIPERIDINYLMETHYLCARBOXYLATE SUBSTITUTED INDOLES | GLAXO GROUP LIMITED (GB) | 1992-09-03 | — | — | WO | disclosed |
| EP-0501322-A1 | 3-Piperidinylmethylcarboxylate substituted indoles | GLAXO GROUP LIMITED (GB) | 1992-09-02 | — | — | EP | disclosed |